TABLE 3.
Calculated hydrogen bond length (in Å) between different benzimidazole drugs and NZO and the crucial amino acids at binding sites in subunits B and D of Tubulin protein.
| Phys. Prop. | Subunit | O-carbamate | NH-carbamate | N (1)H-benzimidazole | Cys239 |
|---|---|---|---|---|---|
| (Direct, indirect) | |||||
| NZO (native) | B | 3.19 | 2.70 | 2.94 | — |
| D | — | 2.72 | 2.92 | 3.23, 2.70 | |
| NZO (docked) | B | 3.03 | 2.95 | 2.87 | — |
| D | 2.93 | 2.76 | 2.80 | — | |
| Mebendazole | B | — | 2.89 | 2.91 | — |
| D | 2.99 | 3.03 | 2.83 | — | |
| Albendazole | B | — | 2.85 | 2.78 | — |
| D | — | 2.71 | 2.81 | 3.40, — | |
| Ciclobendazole | B | — | 2.99 | 2.97 | — |
| D | — | 2.92 | 2.81 | 3.23, 3.20 | |
| Fenbendazole | B | — | 2.96 | 2.86 | — |
| D | 2.95 | 3.03 | 2.81 | — | |
| Flubendazole | B | 3.03 | 2.93 | 2.92 | — |
| D | — | 2.79 | 2.84 | —, 3.14 | |
| Oxibendazole | B | — | 2.89 | 2.82 | — |
| D | 2.87 | 3.53 | 3.00 | — | |
| Oxfendazole | B | — | 2.97 | 2.87 | — |
| D | 2.95 | 3.04 | 2.81 | 3.30, 3.38 | |
| Thiabendazole | B | — | — | 2.74 | — |
| D | — | — | 2.66 | — | |
| Bendazole | B | — | — | 2.72 | — |
| D | — | — | 2.78 | — |